SCHEMBL6500451

SCHEMBL6500451

CNc1ncc(C(=O)NC2CN3CCC2C3)s1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.51
SRC P12931 1/20 0.51
SIK1 P57059 1/20 0.51
SIK2 Q9H0K1 1/20 0.51
SIK3 Q9Y2K2 1/20 0.51
CHRNA7 P36544 17/20 0.47
HTR3E A5X5Y0 6/20 0.46
HTR3B O95264 6/20 0.46
HTR3A P46098 6/20 0.46
HTR3D Q70Z44 6/20 0.46
HTR3C Q8WXA8 6/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7120966 0.94 ABL1 (0.54) ABL1SRCSIK1SIK2SIK3
Hydrochloric Acid SCHEMBL7122145 0.93 ABL1 (0.54) ABL1SRCSIK1SIK2SIK3
SCHEMBL6502838 0.79 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7117251 0.79 CHRNA7 (0.52) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7225133 0.77 CHRNA7 (0.54) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7118285 0.76 NPC1 (0.40) ABL1SRCSIK1SIK2SIK3
SCHEMBL6486283 0.76 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6501477 0.76 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL7218140 0.75 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6501667 0.75 CHRNA7 (0.41) ABL1SRCSIK1SIK2SIK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919359-B2 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PFIZER INC (US) 2005-07-19 US disclosed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 ABL1 853/4885SRC 2968/4885SIK1 4794/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.